COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL058599
Chemical Name: 6'-amino-3'-butyl-2'H-spiro[7,8-dioxabicyclo[3.2.1]octane-2,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Smiles: CCCCc1[nH]nc2c1C1(CCC3OC1OC3)C(=C(O2)N)C#N

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Molecular Weight: 316.36
Empirical Formula: C16H20N4O3

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 2.714
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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